Cas no 81449-01-6 ([4-(hydroxymethyl)phenyl]-phenyl-methanone)

[4-(hydroxymethyl)phenyl]-phenyl-methanone structure
81449-01-6 structure
Product Name:[4-(hydroxymethyl)phenyl]-phenyl-methanone
CAS No:81449-01-6
MF:C14H12O2
MW:212.243884086609
MDL:MFCD26131247
CID:703916
PubChem ID:13149642
Update Time:2024-10-27

[4-(hydroxymethyl)phenyl]-phenyl-methanone Chemical and Physical Properties

Names and Identifiers

    • Methanone, [4-(hydroxymethyl)phenyl]phenyl-
    • (4-(Hydroxymethyl)phenyl)(phenyl)methanone
    • [4-(hydroxymethyl)phenyl]-phenylmethanone
    • [4-(hydroxymethyl)phenyl]-phenyl-methanone
    • [4-(Hydroxymethyl)phenyl]phenylmethanone (ACI)
    • Benzophenone, 4-(hydroxymethyl)- (7CI)
    • (4-Benzoylphenyl)methanol
    • 4-(Hydroxymethyl)benzophenone
    • 4-Benzoylbenzyl alcohol
    • p-(Hydroxymethyl)benzophenone
    • CS-0156558
    • AS-65343
    • DB-097281
    • [4-(Hydroxymethyl)phenyl](phenyl)methanone
    • 4-(hydroxymethyl)-benzophenone
    • YZHGHGHCDSLOBP-UHFFFAOYSA-N
    • [4-(Hydroxymethyl)phenyl]phenyl-methanone
    • 4-hydroxymethylbenzophenone
    • AKOS024262446
    • (4-methylolphenyl)-phenyl-methanone
    • 4-Hydroxylmethyl benzophenone
    • SCHEMBL2641948
    • DTXSID70522244
    • NS00128888
    • 81449-01-6
    • MFCD26131247
    • (4-benzoyl-phenyl)-methanol
    • MDL： MFCD26131247
    • Inchi： 1S/C14H12O2/c15-10-11-6-8-13(9-7-11)14(16)12-4-2-1-3-5-12/h1-9,15H,10H2
    • InChI Key： YZHGHGHCDSLOBP-UHFFFAOYSA-N
    • SMILES： O=C(C1C=CC(CO)=CC=1)C1C=CC=CC=1

Computed Properties

  • Exact Mass: 212.083729621g/mol
  • Monoisotopic Mass: 212.083729621g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 223
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.4
  • Topological Polar Surface Area: 37.3?2

[4-(hydroxymethyl)phenyl]-phenyl-methanone Pricemore >>

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[4-(hydroxymethyl)phenyl]-phenyl-methanone Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Dess-Martin periodinane Solvents: Dichloromethane ;  2 h, 0 °C
1.2 Reagents: Sodium chloride Solvents: Water
2.1 Reagents: 2387822-84-4 Solvents: Tetrahydrofuran ;  3 min, 0 °C
2.2 Reagents: Ammonium chloride Solvents: Water
Reference
Chemoselective reduction of aldehydes via a combination of NaBH4 and acetylacetone
Sui, Guoqing; et al, New Journal of Chemistry, 2019, 43(39), 15793-15796

Production Method 2

Reaction Conditions
1.1 Reagents: Sodium borohydride Catalysts: Tetrabutylammonium bromide Solvents: Benzene ,  Water
Reference
A simple economical procedure for selective reduction of aldehydes in presence of ketones
Rao, C. Someswara; et al, Indian Journal of Chemistry, 1986, (6), 626-9

Production Method 3

Reaction Conditions
1.1 Reagents: Cesium carbonate Catalysts: Di-μ-chlorobis(η3-2-propenyl)dipalladium ,  1H-Imidazolium, 1-[2,6-bis(1-methylethyl)phenyl]-3-(2-bromophenyl)-4,5-dihydro-,… Solvents: Tetrahydrofuran ,  Water ;  2 h, 100 °C
Reference
Palladium-catalyzed arylation of aldehydes with bromo-substituted 1,3-diaryl-imidazoline carbene ligand
Yamamoto, Tetsuya ; et al, Tetrahedron, 2015, 71(1), 19-26

Production Method 4

Reaction Conditions
1.1 Reagents: Sodium carbonate Catalysts: Palladium Solvents: 1,4-Dioxane ;  10 h, 3 bar, 120 °C
Reference
Carbonylative Suzuki-Miyaura Cross-Coupling Over Pd NPs/Rice-Husk Carbon-Silica Solid Catalyst: Effect Of 1,4-Dioxane Solvent
Ketike, Thirupathaiah; et al, ChemistrySelect, 2018, 3(25), 7164-7169

Production Method 5

Reaction Conditions
1.1 Solvents: Tetrahydrofuran ;  0 °C; 14 h, 50 °C; 50 °C → 0 °C
1.2 Reagents: Potassium bifluoride ;  0 °C
1.3 Reagents: Water ;  1.5 h, 0 °C; 30 min, rt
2.1 Reagents: Sodium carbonate Catalysts: Bis(dibenzylideneacetone)palladium ,  [2′,6′-Bis(1-methylethoxy)[1,1′-biphenyl]-2-yl]dicyclohexylphosphine Solvents: 1,4-Dioxane ,  Water ;  24 h, reflux
Reference
Palladium-Catalyzed Direct Hydroxymethylation of Aryl Halides and Triflates with Potassium Acetoxymethyltrifluoroborate
Murai, Norio; et al, Organic Letters, 2012, 14(5), 1278-1281

Production Method 6

Reaction Conditions
1.1 Solvents: Diethyl ether ,  Tetrahydrofuran ;  2 h, -5 °C
1.2 Reagents: Ammonium chloride Solvents: Water
2.1 Reagents: Dess-Martin periodinane Solvents: Dichloromethane ;  2 h, 0 °C
2.2 Reagents: Sodium chloride Solvents: Water
3.1 Reagents: 2387822-84-4 Solvents: Tetrahydrofuran ;  3 min, 0 °C
3.2 Reagents: Ammonium chloride Solvents: Water
Reference
Chemoselective reduction of aldehydes via a combination of NaBH4 and acetylacetone
Sui, Guoqing; et al, New Journal of Chemistry, 2019, 43(39), 15793-15796

Production Method 7

Reaction Conditions
1.1 Reagents: Butyllithium ,  Triisopropyl borate Solvents: Tetrahydrofuran ,  Hexane ;  1.5 h, -78 °C; 1.5 h, -78 °C; 2 h, rt; 0 °C
1.2 Reagents: Methanesulfonic acid ;  1 h, rt; 0 °C
1.3 1 h, rt
2.1 Solvents: Tetrahydrofuran ;  0 °C; 14 h, 50 °C; 50 °C → 0 °C
2.2 Reagents: Potassium bifluoride ;  0 °C
2.3 Reagents: Water ;  1.5 h, 0 °C; 30 min, rt
3.1 Reagents: Sodium carbonate Catalysts: Bis(dibenzylideneacetone)palladium ,  [2′,6′-Bis(1-methylethoxy)[1,1′-biphenyl]-2-yl]dicyclohexylphosphine Solvents: 1,4-Dioxane ,  Water ;  24 h, reflux
Reference
Palladium-Catalyzed Direct Hydroxymethylation of Aryl Halides and Triflates with Potassium Acetoxymethyltrifluoroborate
Murai, Norio; et al, Organic Letters, 2012, 14(5), 1278-1281

Production Method 8

Reaction Conditions
1.1 Reagents: 2387822-84-4 Solvents: Tetrahydrofuran ;  5 min, 0 °C
1.2 Reagents: Ammonium chloride Solvents: Water
2.1 Solvents: Diethyl ether ,  Tetrahydrofuran ;  2 h, -5 °C
2.2 Reagents: Ammonium chloride Solvents: Water
3.1 Reagents: Dess-Martin periodinane Solvents: Dichloromethane ;  2 h, 0 °C
3.2 Reagents: Sodium chloride Solvents: Water
4.1 Reagents: 2387822-84-4 Solvents: Tetrahydrofuran ;  3 min, 0 °C
4.2 Reagents: Ammonium chloride Solvents: Water
Reference
Chemoselective reduction of aldehydes via a combination of NaBH4 and acetylacetone
Sui, Guoqing; et al, New Journal of Chemistry, 2019, 43(39), 15793-15796

Production Method 9

Reaction Conditions
1.1 Reagents: Dimethyl sulfoxide Catalysts: Potassium carbonate ;  125 °C
Reference
An unusual chemoselective oxidation strategy by an unprecedented exploration of an electrophilic center of DMSO: a new facet to classical DMSO oxidation
Chebolu, Rajesh; et al, Chemical Communications (Cambridge, 2015, 51(84), 15438-15441

Production Method 10

Reaction Conditions
1.1 Reagents: Sodium carbonate Catalysts: Bis(dibenzylideneacetone)palladium ,  [2′,6′-Bis(1-methylethoxy)[1,1′-biphenyl]-2-yl]dicyclohexylphosphine Solvents: 1,4-Dioxane ,  Water ;  24 h, reflux
Reference
Palladium-Catalyzed Direct Hydroxymethylation of Aryl Halides and Triflates with Potassium Acetoxymethyltrifluoroborate
Murai, Norio; et al, Organic Letters, 2012, 14(5), 1278-1281

Production Method 11

Reaction Conditions
1.1 Reagents: Potassium carbonate Solvents: Water ;  5 h, 100 °C
Reference
Synthesis of 4-(hydroxymethyl)benzophenone by phase transfer catalytic method
Tang, Rui-ren; et al, Zhongnan Daxue Xuebao, 2005, 36(4), 594-598

Production Method 12

Reaction Conditions
1.1 Reagents: Potassium carbonate Catalysts: Benzyltriethylammonium chloride Solvents: Water ;  8 h, rt
Reference
Efficient routes toward 4-[(2-aminoethoxy)methyl]benzophenone
Tang, Rui-ren; et al, Synthetic Communications, 2006, 36(4), 421-427

Production Method 13

Reaction Conditions
Reference
Reactions of borohydride in acidic media. Part XII. Chemoselective reduction of aldehydes with tetra-n-butylammonium triacetoxyborohydride
Nutaitis, Charles F.; et al, Tetrahedron Letters, 1983, 24(40), 4287-90

Production Method 14

Reaction Conditions
1.1 Reagents: 2387822-84-4 Solvents: Tetrahydrofuran ;  3 min, 0 °C
1.2 Reagents: Ammonium chloride Solvents: Water
Reference
Chemoselective reduction of aldehydes via a combination of NaBH4 and acetylacetone
Sui, Guoqing; et al, New Journal of Chemistry, 2019, 43(39), 15793-15796

Production Method 15

Reaction Conditions
1.1 Reagents: Cesium carbonate Catalysts: Stereoisomer of bis[[3-[2,6-bis(1-methylethyl)phenyl]-1-imidazolidinyl-2-ylidene… Solvents: Tetrahydrofuran ,  Water ;  2 h, 70 °C
Reference
Palladium-Catalyzed Hydroxymethylation of Aryl- and Heteroarylboronic Acids using Aqueous Formaldehyde
Yamamoto, Tetsuya; et al, Advanced Synthesis & Catalysis, 2014, 356(17), 3525-3529

Production Method 16

Reaction Conditions
1.1 Reagents: Pivalic acid ,  Sodium carbonate Solvents: Polyethylene glycol ;  24 h, 100 °C
Reference
Transition-metal-free, ambient-pressure carbonylative cross-coupling reactions of aryl halides with potassium aryltrifluoroborates
Jin, Fengli; et al, Chemical Communications (Cambridge, 2015, 51(44), 9133-9136

Production Method 17

Reaction Conditions
1.1 Reagents: Boron trifluoride ,  Sodium borohydride Solvents: Diglyme
Reference
Selective reduction of carboxy and cyano groups in the presence of carbonyl groups
Subba Rao, B. C.; et al, Current Science, 1963, 32(9), 404-5

Production Method 18

Reaction Conditions
1.1 Reagents: N-Bromosuccinimide Catalysts: Azobisisobutyronitrile Solvents: Benzene ;  48 h, 100 °C
2.1 Reagents: Potassium carbonate Solvents: 1,4-Dioxane ,  Water ;  18 h, 120 °C
Reference
From 3D to 4D printing: a reactor for photochemical experiments using hybrid polyurethane acrylates for vat-based polymerization and surface functionalization
Hansen, Anne; et al, Chemical Communications (Cambridge, 2020, 56(96), 15161-15164

Production Method 19

Reaction Conditions
1.1 Reagents: N-Bromosuccinimide Catalysts: Benzoyl peroxide Solvents: Carbon tetrachloride ;  reflux
2.1 Reagents: Potassium carbonate Solvents: Water ;  5 h, 100 °C
Reference
Synthesis of 4-(hydroxymethyl)benzophenone by phase transfer catalytic method
Tang, Rui-ren; et al, Zhongnan Daxue Xuebao, 2005, 36(4), 594-598

[4-(hydroxymethyl)phenyl]-phenyl-methanone Raw materials

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(CAS:81449-01-6)[4-(hydroxymethyl)phenyl]-phenyl-methanone
Order Number:A864549
Stock Status:in Stock
Quantity:1g/5g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 08:47
Price ($):170.0/748.0

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(CAS:81449-01-6)[4-(hydroxymethyl)phenyl]-phenyl-methanone
A864549
Purity:99%/99%
Quantity:1g/5g
Price ($):170.0/748.0
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